(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C26H39N5O2 — CID 3067411

IUPAC(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1
InChIInChI=1S/C26H39N5O2/c1-6-27-26(33)30(12-8-11-29(4)5)25(32)19-13-21-20-9-7-10-22-24(20)18(15-28-22)14-23(21)31(16-19)17(2)3/h7,9-10,15,17,19,21,23,28H,6,8,11-14,16H2,1-5H3,(H,27,33)/t19-,21?,23-/m1/s1
InChIKeyRGALGKWGBPVFBD-DICHZYRTSA-N
MW453.63 g/mol
LogP3.42
Rot. Bonds7

About (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 3067411) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID3067411
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1
InChIInChI=1S/C26H39N5O2/c1-6-27-26(33)30(12-8-11-29(4)5)25(32)19-13-21-20-9-7-10-22-24(20)18(15-28-22)14-23(21)31(16-19)17(2)3/h7,9-10,15,17,19,21,23,28H,6,8,11-14,16H2,1-5H3,(H,27,33)/t19-,21?,23-/m1/s1
InChIKeyRGALGKWGBPVFBD-DICHZYRTSA-N
XLogP3.42
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 3067411) is (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1.
What is the InChIKey of (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is RGALGKWGBPVFBD-DICHZYRTSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-6-27-26(33)30(12-8-11-29(4)5)25(32)19-13-21-20-9-7-10-22-24(20)18(15-28-22)14-23(21)31(16-19)17(2)3/h7,9-10,15,17,19,21,23,28H,6,8,11-14,16H2,1-5H3,(H,27,33)/t19-,21?,23-/m1/s1.
What are the key properties of (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-propan-2-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 3067411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).